(3E)-7-chloranyl-3-[[cyclohexyl(methyl)amino]methylidene]-5-phenyl-4H-1,4-benzodiazepin-2-one

Systemtic Name: (3E)-7-chloranyl-3-[[cyclohexyl(methyl)amino]methylidene]-5-phenyl-4H-1,4-benzodiazepin-2-one Openeye Name: (3E)-7-chloro-3-[[cyclohexyl(methyl)amino]methylene]-5-phenyl-4H-1,4-benzodiazepin-2-one CAS Name: (3E)-7-chloro-3-[[cyclohexyl(methyl)amino]methylidene]-5-phenyl-4H-1,4-benzodiazepin-2-one IUPAC Name: (3E)-7-chloro-3-[[cyclohexyl(methyl)amino]methylidene]-5-phenyl-4H-1,4-benzodiazepin-2-one Traditional Name: (3E)-7-chloro-3-[[cyclohexyl(methyl)amino]methylene]-5-phenyl-4H-1,4-benzodiazepin-2-one Formula: C23H24ClN3O MolecularWeight: 393.90916

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C=C1C(=O)N=C2C=CC(=CC2=C(N1)C3=CC=CC=C3)Cl)C4CCCCC4

Isomeric SMILES

CN(/C=C/1\C(=O)N=C2C=CC(=CC2=C(N1)C3=CC=CC=C3)Cl)C4CCCCC4

InChI

InChI=1S/C23H24ClN3O/c1-27(18-10-6-3-7-11-18)15-21-23(28)26-20-13-12-17(24)14-19(20)22(25-21)16-8-4-2-5-9-16/h2,4-5,8-9,12-15,18,25H,3,6-7,10-11H2,1H3/b21-15+